(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C17H24N4O — CID 134697688

IUPAC(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c(N2CCCC2)nn1C
InChIInChI=1S/C17H24N4O/c1-11-15(16(19-20(11)2)21-7-3-4-8-21)18-17(22)14-10-12-5-6-13(14)9-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13+,14-/m1/s1
InChIKeySCNHMTUYXLTBKG-HZSPNIEDSA-N
MW300.41 g/mol
LogP2.48
Rot. Bonds3

About (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 134697688) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID134697688
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c(N2CCCC2)nn1C
InChIInChI=1S/C17H24N4O/c1-11-15(16(19-20(11)2)21-7-3-4-8-21)18-17(22)14-10-12-5-6-13(14)9-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13+,14-/m1/s1
InChIKeySCNHMTUYXLTBKG-HZSPNIEDSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 132319190
cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 164632896
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
CID 107174958
rac-(1S,2R)-N-(1,5-dimethyl-3-pyrrolidin-1-yl-1H-pyrazol-4-yl)-2-(pyrrolidin-1-ylcarbonyl)cyclohexanecarboxamide
CID 132406368
rac-(1R,2R,4R)-N-(4-ethyl-1,3-dimethyl-1H-pyrazol-5-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 134697458

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 134697688) is (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c(N2CCCC2)nn1C.
What is the InChIKey of (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is SCNHMTUYXLTBKG-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11-15(16(19-20(11)2)21-7-3-4-8-21)18-17(22)14-10-12-5-6-13(14)9-12/h5-6,12-14H,3-4,7-10H2,1-2H3,(H,18,22)/t12-,13+,14-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 134697688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).